Geometry & MOs

Info

ID:	124100
PubChem CID:	50872690
Reduced:	N2S2O6H12C21 (1)
Stoich.:	A2B2C6D12E21 (1)
Weight, g/mol:	373.04425
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	10.11
IP(EA), eV:	-9.4(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations